UCSF

ZINC35719820

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.58 3.37 -45.82 3 3 1 50 235.694 3
Mid Mid (pH 6-8) 2.58 2.97 -5.74 2 3 0 48 234.686 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )